(3R,4R)-4-chloro-2-methylhex-5-en-3-ol

C7H13ClO — CID 15259158

IUPAC(3R,4R)-4-chloro-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](Cl)[C@H](O)C(C)C
InChIInChI=1S/C7H13ClO/c1-4-6(8)7(9)5(2)3/h4-7,9H,1H2,2-3H3/t6-,7-/m1/s1
InChIKeyCLSKZPLYNWBZNR-RNFRBKRXSA-N
MW148.63 g/mol
LogP1.80
Rot. Bonds3

About (3R,4R)-4-chloro-2-methylhex-5-en-3-ol

(3R,4R)-4-chloro-2-methylhex-5-en-3-ol (PubChem CID 15259158) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (3R,4R)-4-chloro-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-chloro-2-methylhex-5-en-3-ol
PubChem CID15259158
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(3R,4R)-4-chloro-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](Cl)[C@H](O)C(C)C
InChIInChI=1S/C7H13ClO/c1-4-6(8)7(9)5(2)3/h4-7,9H,1H2,2-3H3/t6-,7-/m1/s1
InChIKeyCLSKZPLYNWBZNR-RNFRBKRXSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4R)-4-chloro-2-methylhex-5-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-chloro-2-methylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-4-chloro-2-methylhex-5-en-3-ol (CID 15259158) is (3R,4R)-4-chloro-2-methylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-4-chloro-2-methylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-4-chloro-2-methylhex-5-en-3-ol is C=C[C@@H](Cl)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-4-chloro-2-methylhex-5-en-3-ol?
The InChIKey is CLSKZPLYNWBZNR-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13ClO/c1-4-6(8)7(9)5(2)3/h4-7,9H,1H2,2-3H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-chloro-2-methylhex-5-en-3-ol?
(3R,4R)-4-chloro-2-methylhex-5-en-3-ol has a molecular weight of 148.63 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-chloro-2-methylhex-5-en-3-ol is sourced from PubChem (CID 15259158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).